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PAPC

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C44H80NO8P · 782.1 g/mol

IUPAC name: [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Also called 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine, phosphatidylcholine, arachidonate donor

Lipids
Open in Athanor
The structure of PAPC
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine, phosphatidylcholine, arachidonate donor
+ 37 more

1-Palmitoyl-2-arachidoyllecithin, PC(16:0/20:4(5Z,8Z,11Z,14Z)), CHEBI:73003, Phosphatidylcholine(16:0/20:4), GPCho(16:0/20:4), 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine, (2-{[(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium, GPCho(16:0/5Z,8Z,11Z,14Z-20:4), [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, Phosphatidylcholine(16:0/20:4w6), Epitope ID:1635960, SCHEMBL236438, orb2283006, 1-palmitoyl-2-arachidonoyl-GPC, GPCho(16:0/20:4omega6), PC(16:0/20:4omega6), GPCho(16:0/20:4n6), GPCho(16:0/20:4w6), LMGP01012254, MFCD00171671, Phosphatidylcholine(16:0/20:4n6), MSK001062-1000S, Phosphatidylcholine(16:0/20:4omega6), BP-29915, PC(16:0/20:4n6), PC(16:0/20:4w6), PD085503, GPC(16:0/20:4), HY-141636, 1-Palmitoyl-2-Arachidonoyl-sn-glycero-3-PC, CS-0182796, T85255, 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4), Q27105003, PC 16:0/20:4(5Z,8Z,11Z,14Z), PC 16:0/24:4(5Z,8Z,11Z,14Z), 1-Palmitoyl-2-arachidoyllecithin (solution in chloroform)

Molecular formula
C44H80NO8P
Empirical formula
C44H80NO8P
Molecular weight
782.1 g/mol
Exact mass
781.56216
CAS number
35418-59-8
PubChem CID
10747814
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
InChIKey
IIZPXYDJLKNOIY-JXPKJXOSSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
54
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.77
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
38 computed here · PubChem 40
TPSA (Ų)
111.2 computed here · PubChem 111
Formal charge
0
XLogP3
12.6 PubChem
Complexity
1060 PubChem
Stereocenters
1 defined, 1 undefinedCIP: C20: R · P23: undefined
Double-bond geometry
C39=C40: Z · C42=C43: Z · C45=C46: Z · C48=C49: Z

Elemental analysis

  • C67.57%
  • H10.31%
  • N1.79%
  • O16.37%
  • P3.96%

Isotope pattern

100%781.56249%782.56613%783.5692.7%784.572785.574

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
11.28 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-9.29 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.47 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 782.1
  • log P ≤ 5 (Crippen): 11.28
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 8

Breaks 2 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: AChemBlock, LGC Standards, Biorbyt.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  3. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  4. ·Literature on PubChem

Data last updated 2026-10-14.